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Free spectral libraries, ready-to-use with the new database search function in Spectragryph

(the time-limited trial version allows unlimited entries, licensed versions with unlimited database entries available for purchase)

How to use: just unzip and load into Spectragryph, with the [Load Database...] button from the Identify ribbon. For explanations, see the database part of the online manual and a tutorial video!

database file description
R O C K S , . M I N E R A L S . & . G E M S
RRUFF_Raman_DB_3087entries_02.zip
(54.6 MB)
Collection of 3087 Raman spectra of minerals, provided by the RRUFF project from University of Arizona.
(data set from 2012, as part of CrystalSleuth software)

For many mineral species, there are several entries, which allows to get an impression for the intra- and inter-species spectral variations. A speed comparison of Spectragryph against their free CrystalSleuth software, showed Spectragryph to perform 9x faster, while doing the search with full resolution for all spectra (spectral similarity algorithm).
RRUFF_Raman_DB_5185excellent_entries_2017_01.zip
(89.6 MB)
Collection of 5185 Raman spectra from 1677 minerals at four laser wavelengths (data with status: "excellent, processed, unoriented"), provided by the RRUFF project from University of Arizona.
(most current state, retrieved on 2017-06-13 from http://rruff.info/zipped_data_files/raman/)
RRUFF_FTIR_DB_882entries_01.zip
(11.2 MB)
Collection of 882 FTIR absorbance spectra of minerals, provided by the RRUFF project from University of Arizona.
(most current state, retrieved on 2017-06-13 from http://rruff.info/zipped_data_files/infrared/)
USGS_splib06_Minerals_881spectra.zip
(11.4 MB)
Collection of 881 NIR-MIR-FIR reflectance spectra of rocks and minerals, as provided by the U.S. Geological survey (USGS Digital Spectral Library as version splib06a, section M, currently there is version 7).
USGS_splib07_Minerals_1275spectra
(17.9 MB)
Collection of 1275 UV-VIS-NIR-MIR-FIR reflectance spectra of rocks and minerals, as provided by the U.S. Geological survey (USGS Digital Spectral Library as most current version splib07a, section M).
USGS_splib07_allSections_2456spectra
(37.7 MB)
Collection of 2456 UV-VIS-NIR-MIR-FIR reflectance spectra of rocks and minerals, soil, vegetation, artificial materials and organic compounds as provided by the U.S. Geological survey (USGS Digital Spectral Library as most current version splib07a, all sections).
JPL_ASTER_allSections_2409spectra.zip
(34.7 MB)
Collection of 2409 UV-VIS-NIR-MIR reflectance/transmittance spectra of rocks and minerals, meteorites, soil, lunar soil, manmade materials and vegetation as provided by the Jet Propulsion Laboratory/JPL (as ASTER spectral library, version from 2008, all sections). This library was re-released on 02/02/2018 as "ECOSTRESS spectral library", with the same content plus some hundred additional vegetation spectra...
Elements_Minerals_XRF_Database_95entries.zip
(705 kB)
XRF/ EDS spectra from 95 elements, salts and minerals, acquired and provided by Ken Mason from Eastern Analytical sprl, Stavelot, Belgium (http://gunshotresidue.net, http://calibrationstandards.net). All samples available as reference standards mounted on stubs from Ardennes Analytique SPRL
A R C H E O M E T R Y / . C U L T U R A L . H E R I T A G E / . A R T . H I S T O R Y . & . P R E S E R V A T I O N
Kimmel_Center_IR_spectra_library_363entries.zip
(2.99 MB)
Collection of 363 FTIR absorbance of natural & biogenic material of archeological interest. Collected and provided by Prof. Steven Weiner from Kimmel Center for Archaeological Science, Weizmann Institute of Science, Israel
archaeometrielabor_db03.zip
(445 KB)
Collection of 35 FTIR transmittance spectra of glues, gums and resins used by painters. Downloaded in 2004 from http://www.archaeometrielabor.com, which is now defunct.
UCL_Chemistry_RamanLibrary_55pigments.zip
(366 kB)
Raman spectra of 55 common pigments, both natural and synthetic, known to have been in use before ~1850 AD . Compiled by Ian M. Bell, Robin J.H. Clark and Peter J. Gibbs Christopher Ingold Laboratories, University College London, UK. Downloaded from http://www.chem.ucl.ac.uk/resources/raman/
CHSOS_Raman_pigments_database_123entries.zip
(1.28 MB)
Raman spectra of 58 historical pigments, distributed as swatches painted on a cardboard ("Pigment Checker"), by Dr. Antonino Cosentino/CHSOS (http://chsopensource.org/). Measured at three laser wavelengths.
published as "Pigments Checker version 3.0, a handy set for conservation scientists: A free online Raman spectra database" in Microchemical Journal 129, 123–132 (2016)
CHSOS_Reflectance_pigments_database_70entries.zip Reflectance spectra of 70 historical pigments, also distributed as swatches painted on a cardboard ("Pigment Checker"), by Dr. Antonino Cosentino/ CHSOS (http://chsopensource.org/).
CHSOS_XRF_pigments_59entries.zip
(200 kB)
XRF spectra of 58 historical pigments, distributed as swatches painted on a cardboard ("Pigment Checker"), by Dr. Antonino Cosentino/CHSOS (http://chsopensource.org/)
published as "Free XRF Spectroscopy Database of Pigments Checker" in Int J Conserv Sci 7(3), 659-668 (2016)
O R G A N I C . C O M P O U N D S / . P L A S T I C S / . D R U G S / . P H A R M A C E U T I C A L S
Carbohydrates_Raman_Database_24entries.zip
(516 kB)
Collection of 24 solid state Raman spectra of carbohydrates from the monomers and their derivatives to complex polysaccharides. Compiled by S.B.Engelsen from Royal Vet. and Agricultural University, Denmark
PSLC_database_144entries.zip
(2.55 MB)
Collection of 144 FTIR spectra of organic solvents, monomers and additives used in polymer chemistry. Compiled by Dr. R. Badger at University of Wisconsin-Stevens Point for his Polymer Science Learning Center
PhotochemCAD_abs_fl_166_dye_compounds.zip
(1.98 MB)
Collection of 300 UV/VIS absorbance and fluorescence spectra of organic dyes, as provided with the PhotochemCAD software by Jonathan Lindsey. Retrieved from http://omlc.org/spectra/PhotochemCAD/index.html
SWGDRUG_624_entries
(7.60 MB)
new
Collection of 624 FTIR-ATR absorbance spectra of drug ingredients, as compiled by "Scientific Workgroup for the Analysis of Seized Drugs" . Retrieved from https://swgdrug.org/ir.htm
PharmExcipients_75_entries
(1.21 MB)
new
Collection of Raman spectra of pharmaceutical excipients, compiled from the spectral data depository of this article:
Karlis Berzinš, Ruth E. Sales, Jonathan E. Barnsley, Greg Walker, Sara J.Fraser-Miller, Keith C.Gordon: "Low-Wavenumber Raman Spectral Database of Pharmaceutical Excipients"; Vibrational Spectroscopy 107, 103021 (2020)
Retrieved from https://zenodo.org/record/3614035
SLoPP_Raman_microplastics_276entries
(2.31 MB)
new
Collection of Raman spectra of microplastics, from "fresh" reference samples and weathered/ environmental samples. Compiled from a spectral library created by the Rochman Lab – University of Toronto. Retrieved from https://rochmanlab.wordpress.com/slopp-and-slopp-e-raman-spectral-libraries-for-microplastics-research/
Additionally added 16 microplastics reference spectra from https://data.mendeley.com/v1/datasets/compare/kpygrf9fg6/2/1
Primpke_FTIR_Microplastics_380_entries
(5.22 MB)
new
Collection of (ATR-)FTIR spectra of microplastics, mostly from fresh reference samples. compiled from the spectral data depository of this article: S. Primpke, M. Wirth, C. Lorenz, G. Gerdts: "Reference database design for the automated analysis of microplastic samples based on Fourier transform infrared (FTIR) spectroscopy", Analytical and Bioanalytical Chemistry 410, 5131–5141 (2018), retrieved from https://link.springer.com/article/10.1007/s00216-018-1156-x
Enhanced with 57 FTIR spectra of plastics from this article: Q.T. Birch, P.M.Potter, P.X. Pinto, D.D. Dionysiou, S.R.Al-Abed: "Isotope ratio mass spectrometry and spectroscopic techniques for microplastics characterization", published as Talanta 224, 121743 (2021). Retrieved from: epa.gov

spectra collection description
LIBS_reference materials.zip
(19.36 MB)
new
Collection of 80 LIBS spectra of elements, salts and minerals, acquired and provided by Prof. Jean-Marc Baele from University of Mons, Belgium. This is not a spectral library, but a collection of individual spectra. You wouldn't do spectral library search on LIBS spectra, but rather look at element assignments for individual emission peaks. Also explained in the second tutorial video from here.
See also another part of this website with a link collection of spectral databases!

 

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